Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.5
Substance Class Chemical
Record UNII
QUH15J9Q1Q
Record Status Validated (UNII)
Record Version
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Details

Stereochemistry ACHIRAL
Molecular Formula C30H29ClN6O4
Molecular Weight 573.042
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0
Created by admin on Thu Mar 26 00:21:19 EDT 2020
Edited by admin on Thu Mar 26 00:21:19 EDT 2020
Structure of NERATINIB DIMETHYLAMINE N-OXIDE

Systematic Names:

  • None recorded
  • {{name}}

SMILES

CCOC1=C(NC(=O)\C=C\C[N+](C)(C)[O-])C=C2C(=C1)N=CC(C#N)=C2NC3=CC(Cl)=C(OCC4=NC=CC=C4)C=C3

InChI

DREVEVQWSRJACN-VQHVLOKHSA-N
InChI=1S/C30H29ClN6O4/c1-4-40-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2,3)39)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)41-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
Name Type Language Details References
NERATINIB DIMETHYLAMINE N-OXIDE
Common Name
English  
HKI-272 DIMETHYLAMINE N-OXIDE
Code
English  
NERATINIB METABOLITE M7
Common Name
English  
WYE-121592
Code
English  
2-BUTENAMIDE, N-(4-((3-CHLORO-4-(2-PYRIDINYLMETHOXY)PHENYL)AMINO)-3-CYANO-7-ETHOXY-6-QUINOLINYL)-4-(DIMETHYLOXIDOAMINO)-, (2E)-
Systematic Name
English  
Code System Code Type Description References
PUBCHEM
87687267
Created by admin on Thu Mar 26 00:21:19 EDT 2020 , Edited by admin on Thu Mar 26 00:21:19 EDT 2020
PRIMARY
CAS
1376615-55-2
Created by admin on Thu Mar 26 00:21:19 EDT 2020 , Edited by admin on Thu Mar 26 00:21:19 EDT 2020
PRIMARY
Related Record Type Details References
TARGET -> INHIBITOR
Mediator Substance Details
none
INHIBITOR
Reference: NERATINIB IC50 = 17 nM
IC50
Created by admin on Thu Mar 26 00:21:19 EDT 2020 , Edited by admin on Thu Mar 26 00:21:19 EDT 2020
TARGET -> INHIBITOR
Mediator Substance Details
none
INHIBITOR
Reference: NERATINIB IC50 = 2.7 nM
IC50
Created by admin on Thu Mar 26 00:21:19 EDT 2020 , Edited by admin on Thu Mar 26 00:21:19 EDT 2020
TARGET -> INHIBITOR
Mediator Substance Details
none
INHIBITOR
NERATINIB was not evaluated.
IC50
Created by admin on Thu Mar 26 00:21:19 EDT 2020 , Edited by admin on Thu Mar 26 00:21:19 EDT 2020
Related Record Type Details References
PARENT -> METABOLITE LESS ACTIVE
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 00:21:19 EDT 2020 , Edited by admin on Thu Mar 26 00:21:19 EDT 2020
Created Thu Mar 26 00:21:19 EDT 2020
Created By admin
Last Edited Thu Mar 26 00:21:19 EDT 2020
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File
1 208051ORIG1S000 MULTI-DISCIPLINE REVIEW NDA PUBLIC REVIEW NOMEN PUBLIC_DOMAIN_RELEASE CLIN
2 PUBCHEM PUBCHEM
3 dump-public-2020-03-25.gsrs BATCH_IMPORT Thu Mar 26 00:21:19 EDT 2020
4 STN STN (SCIFINDER)

Molecular Formula C30H29ClN6O4
Molecular Weight 573.042
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE